N-[(3R,4S)-4-cyclopropyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-hydroxyacetamide;hydrochloride

C16H21ClF3N3O2 — CID 154898600

IUPACN-[(3R,4S)-4-cyclopropyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-hydroxyacetamide;hydrochloride
SMILESCc1cc(C(F)(F)F)cc(N2C[C@H](NC(=O)CO)[C@@H](C3CC3)C2)n1.Cl
InChIInChI=1S/C16H20F3N3O2.ClH/c1-9-4-11(16(17,18)19)5-14(20-9)22-6-12(10-2-3-10)13(7-22)21-15(24)8-23;/h4-5,10,12-13,23H,2-3,6-8H2,1H3,(H,21,24);1H/t12-,13+;/m1./s1
InChIKeyGNRYEEMYAJHWSL-KZCZEQIWSA-N
MW379.81 g/mol
LogP2.15
Rot. Bonds4

About N-[(3R,4S)-4-cyclopropyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-hydroxyacetamide;hydrochloride

N-[(3R,4S)-4-cyclopropyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-hydroxyacetamide;hydrochloride (PubChem CID 154898600) has the molecular formula C16H21ClF3N3O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-hydroxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-hydroxyacetamide;hydrochloride
PubChem CID154898600
Molecular FormulaC16H21ClF3N3O2
Molecular Weight379.81 g/mol
Exact Mass379.13
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-hydroxyacetamide;hydrochloride
SMILESCc1cc(C(F)(F)F)cc(N2C[C@H](NC(=O)CO)[C@@H](C3CC3)C2)n1.Cl
InChIInChI=1S/C16H20F3N3O2.ClH/c1-9-4-11(16(17,18)19)5-14(20-9)22-6-12(10-2-3-10)13(7-22)21-15(24)8-23;/h4-5,10,12-13,23H,2-3,6-8H2,1H3,(H,21,24);1H/t12-,13+;/m1./s1
InChIKeyGNRYEEMYAJHWSL-KZCZEQIWSA-N
XLogP2.15
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-hydroxyacetamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-hydroxyacetamide;hydrochloride (CID 154898600) is N-[(3R,4S)-4-cyclopropyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-hydroxyacetamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-hydroxyacetamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-hydroxyacetamide;hydrochloride is Cc1cc(C(F)(F)F)cc(N2C[C@H](NC(=O)CO)[C@@H](C3CC3)C2)n1.Cl.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-hydroxyacetamide;hydrochloride?
The InChIKey is GNRYEEMYAJHWSL-KZCZEQIWSA-N. The full InChI is InChI=1S/C16H20F3N3O2.ClH/c1-9-4-11(16(17,18)19)5-14(20-9)22-6-12(10-2-3-10)13(7-22)21-15(24)8-23;/h4-5,10,12-13,23H,2-3,6-8H2,1H3,(H,21,24);1H/t12-,13+;/m1./s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-hydroxyacetamide;hydrochloride?
N-[(3R,4S)-4-cyclopropyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-hydroxyacetamide;hydrochloride has a molecular weight of 379.81 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-hydroxyacetamide;hydrochloride is sourced from PubChem (CID 154898600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).